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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2024 · IF 9.4

Weakened Mn–O bond in Mn–Ce catalysts through K doping induced oxygen activation for boosting benzene oxidation at low temperatures

Xi Chen,Xiaoyan Wang,Ziliang Jia,Chao Yang,Zhihong Liu,Yuexing Wei,Mengxue Wang,Meisheng Liang

K-doped Mn–Ce solid solution catalysts were synthesized using a combination of coprecipitation and hydrothermal methods, demonstrating excellent performance in benzene oxidation. The catalyst K 1 Ce 5 Mn 5 exhibited comparable activity to noble metal catalysts, achieving a 90 % benzene conversion at approximately 194 ℃. Durable tests under dry and moist conditions revealed that the catalyst could maintain its activity for 50 h at 218 ℃ and 236 ℃, respectively. Characterization results indicated that the catalyst’s enhanced activity resulted from the weakened Mn–O bonding caused by the introduction of K + , facilitating the activation of oxygen and its involvement in the reaction. CeO x , the main crystalline phase of Mn–Ce solid solutions, provided abundant oxygen vacancies for capturing and activating oxygen molecules for the weakened Mn–O structures. This conclusion was further supported by partial density of state analysis from density functional theory computations, revealing that the introduction of K + weakened the orbital hybridization of Mn3d and O2p. Finally, in situ diffuse reflectance infrared Fourier-transform spectroscopy ( in situ DRIFTS) studies on Ce 5 Mn 5 and K 1 Ce 5 Mn 5 catalysts suggested that the introduction of K + promoted the conversion of adsorbed benzene. Furthermore, intermediate products were transformed more rapidly for K 1 Ce 5 Mn 5 compared to Ce 5 Mn 5 .

CAS / MDL: 10294-41-4 10377-66-9
✓ 已验证 产品关联 DOI PubMed 高影响因子
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

CO2 selective adsorption from CO2/CH4 mixtures and regeneration of X zeolites by Li and K modification using various regeneration strategies

Yongbiao Sun,Hui Li,Haijun Lai,Yan Yu,Meiling Hou,Chao Fu,Zaizhou Wang,Chunxiang Zhang

Natural gas purification before liquefaction necessitates the use of efficient adsorbents with high selective CO 2 adsorption and easy regeneration. Because of its efficiency and ease of operation, the ion exchange is widely employed to adjust zeolites’ CO 2 adsorption. However, few in-depth mechanistic studies have been undertaken on cation substitution regulation of pore structure and gas–solid interaction, as well as their synergistic effects on CO 2 selective adsorption and zeolite regeneration. In this study, we synthesized Li + and K + -modified 13X and examined their material characteristics, thermodynamics, adsorption kinetics, and the adsorption–desorption performance under various desorption methods. The results showed that the variation in pore structure and gas–solid interaction with cation radius is non-monotonic, resulting in 13XLi and 13XK having better CO 2 selective adsorption than 13X. All zeolites are extremely stable after 10 adsorption–desorption cycles in each regeneration setting. 13X outperforms 13XLi and 13XK in CO 2 desorption at 30 °C, owing to its large non-micropore volume and low gas–solid interaction. 13XK has the lowest CO 2 desorption rate at low temperature but the highest at high temperature, owing to the flat micropore distribution and the progressive gas–solid interaction. Approximately 100 % regeneration of 13XK is achieved with CH 4 purging (150 mL/min) at 150 °C, owing to its smallest cumulative pore volume at 0.5 nm. This research could help to develop efficient cation-modified X zeolites for CO 2 deep removal from CH 4 streams prior to liquefaction, as well as advance the in-depth understanding of cation substitution mechanisms.

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INORGANIC CHEMISTRY · 2025 · IF 4.7

A Homoatomic Heteroleptic Coordination Strategy for Exceptional Infrared Linear and Nonlinear Optical Properties in ANb2PS4(S2)3(A = K,Rb,Cs)

Yumiao Niu,Yan Xiao,Yidan Chen,Chu Chu,Daqing Yang,Ying Wang,Bing-Bing Zhang

The disulfide dianion [S2]2–, as an important structural motif in sulfides, can incorporate isolated S2– to form homoatomic heteroleptic polyhedra [MSx(S2)y]. However, the sulfides that contain [MSx(S2)y] units have been rarely reported and have not been systematically investigated as infrared (IR) nonlinear optical (NLO) materials. It is verified in this work that the homoatomic heteroleptic coordination strategy enhances local structural asymmetry, leading to improved optical anisotropy and NLO performance. Three compounds, namely, ANb2PS10(A = K,Rb,Cs), were identified and prepared. They exhibit a large phase-matchable second-harmonic generation (SHG) response, with KNb2PS10, RbNb2PS10, and CsNb2PS10 showing the effects of 1.5, 2.2, and 1.8 (×AgGaS2@2090 nm), respectively, and large birefringence (Δn = 0.39@546 nm) with KNb2PS10 as a representative. The first-principles calculations indicate that [Nb2S4(S2)4]8– units play a dominant role in inducing strong SHG responses and large birefringence. By validating the homoatomic heteroleptic coordination strategy, this work opens avenues for the design of advanced optical materials.

CAS / MDL: 7647-17-8
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2022 · IF 3.269

Solubility isotherms determination of the H3BO3 + CsCl + H2O system at T = (273.15, 298.15, 323.15, 348.15 and 363.15) K and thermodynamic modeling

Ziyu Zhuang,Dongdong Li,Yanfei Fan,Dandan Gao,Dewen Zeng

The construction of a comprehensive thermodynamic model for boron-containing salt brine is important. However, the general lack of the solubility of H 3 BO 3  + salt + H 2 O ternary systems makes it difficult to determine model parameters involving boron species. Here, we systematically determined the solubility isotherms of the H 3 BO 3  +  CsCl  + H 2 O system at T = (273.15, 298.15, 323.15, 348.15 and 363.15) K. There are three solubility branches corresponding to H 3 BO 3(cr) , CsCl (cr) and a novel adduct in the system. The determined composition of the adduct is 2H 3 BO 3 ·3CsCl. Moreover, the single crystal structure of 2H 3 BO 3 ·3CsCl is solved, suggesting that H 3 BO 3 molecules keep it native plane-triangle structure, but the O atoms coordinate to the Cs ion. We modeled these ternary solubility isotherms using the Pitzer-Simonson-Clegg (PSC) model implemented in the ISLEC program. With the help of the model, a complete polythermal phase diagram of the system was constructed for the temperature range from 250 K to 373.15 K. The determined standard thermodynamic quantities of 2H 3 BO 3 ·3CsCl (cr) from the model are Δ f G m Θ  =  − 3182.26 kJ∙mol −1 , Δ f H m Θ  =  − 3496.19 kJ∙mol −1 , S m Θ  = 485.85 J∙K −1 ∙mol −1 , C p , m Θ  = 320 J∙K −1 ∙mol −1 , respectively.

✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Stable Phase Equilibria of the Quaternary System LiBr-NaBr-KBr-H2O and the Ternary System LiBr-KBr-H2O at 323.15 K

Guo-Liang Nie,Rui-Zhi Cui,Wu Li

According to the composition characteristics of lithium, potassium, bromine, and other resources rich in the salt lake brine of the Qinghai–Tibet Plateau, the phase equilibria of the quaternary system LiBr-NaBr-KBr-H2O and its ternary subsystem LiBr-KBr-H2O at 323.15 K are studied by an isothermal dissolution equilibrium method. The solubility of each system in equilibrium solution at the corresponding temperature is measured, and the corresponding phase diagrams are drawn according to the phase equilibrium experimental data. The results show that there is no complex salt or solid solution in the ternary system LiBr-KBr-H2O at 323.15 K. The phase diagram contains one invariant point (E1), two univariate curves (AE1 and BE1), and two equilibrium solid crystallization regions (corresponding to LiBr·H2O and KBr), belonging to the simple cosaturated type. The quaternary system LiBr-NaBr-KBr-H2O also has no formation of complex salt and solid solution. The phase diagram contains two invariant points (F1 and F2), five univariate curves (E1F1, E3F1, F1F2, E2F2, and E4F2), and four equilibrium solid-phase crystallization regions (corresponding to LiBr·H2O, KBr, NaBr·2H2O, and NaBr). At the same time, to further explain the phase equilibrium relationship of each system at different temperatures and the change rule of each component, comparison and discussion are carried out.

✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Solid–Liquid Equilibrium Behavior and Thermodynamic Analysis of Dibenzoylmethane in Different Pure and Binary Solvent Systems from 278.15 to 318.15 K

Tiantian Tao,Yumin Liu,Jiayin Zhang,Yu Zhou,Yanbo Liu,Zhenguo Gao

Experimental solubility data of dibenzoylmethane (DBM) in three pure solvents (ethyl acetate, acetonitrile, methylbenzene) and three binary solvents (methanol + water, ethanol + water, and isopropyl alcohol + water) were measured by the gravimetric method from 278.15 to 318.15 K under atmospheric pressure. The experimental results showed that the solubility of DBM increased with the increase of temperature. Moreover, the solubility of DBM was temperature-dependent when the type and composition of solvents remained unchanged. The solubility of DBM decreased with the increase of solvent polarity because the molecular structure of DBM was not conducive to the formation of hydrogen bonds between solute and solvent molecules. The solubilities of DBM were correlated by the modified Apelblat equation, the van’t Hoff equation, the λh equation, and the NRTL equation. The modified Apelblat model produced the best fitting results among these models.

✓ 已验证 DOI 高影响因子
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CERAMICS INTERNATIONAL · 2024 · IF 5.1

Electron-lattice coupling effect to improve electrical transport properties of La0.7Ca0.3−xKxMnO3 (0.22 ≤ x ≤ 0.28) films via large-radius K doping

Zimeng Pan,Jiachen Wang,Zihao Chen,Zhenyu Wang,Yao Wang,Xiaolu Liang,Haitao Wang,Yiliang Liu,Yufei Du,Jiamei Han,Jiabin Jiang,Xin Gu,Xiang Liu

For uncooled infrared bolometers, the traditional thermal sensing materials such as vanadium oxide and amorphous silicon have a relative low value of temperature coefficient of resistivity ( TCR ). In contrast, perovskite manganese oxide films exhibit 3–5 times higher TCR values than traditional materials. The important challenge is to achieve both high TCR and peak TCR temperatures ( T k ) at room temperature. Herein, La 0.7 Ca 0.3− x K x MnO 3 (LCKMO, 0.22 ≤ x  ≤ 0.28) films were fabricated on La 0.3 Sr 0.7 Al 0.65 Ta 0.35 O 3 (00 l ) substrates using a combined sol–gel and spin coating process. It was found that by optimizing the K doping amount at x  = 0.24, on the one hand, double exchange mechanism becomes the strongest. On the other hand, with minimal lattice strain, electron scattering is inhibited, and the electron-lattice coupling effect improves. Furthermore, the film exhibits a dense surface structure and a uniform distribution of grains. Finally, TCR value reaches 15.95 % K −1  at the corresponding temperature of 283.28 K. Obviously, the prepared LCKMO films effectively combine the high TCR of La 1− x Ca x MnO 3 with the high T k of La 1− x K x MnO 3 by optimizing the K doping level. The results show that LCKMO films are a promising candidate for fabricating uncooled infrared bolometers.

✓ 已验证 DOI 高影响因子
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JOURNAL OF LUMINESCENCE · 2020 · IF 3.28

Ni and K ion doped CsPbX3 NCs for the improvement of luminescence properties by a facile synthesis method in ambient air

Rui Zhang,Yaoxin Yuan,Jinhong Li,Zhenxing Qin,Qingmei Zhang,Bangyun Xiong,Zesong Wang,Fenghua Chen,Xiujuan Du,Wen Yang

All-inorganic lead halide perovskite nanocrystals (NCs) as new emerging semiconducting luminescent materials have attracted tremendous attention for designing optoelectronic devices . We have synthesized high quality of the CsPbX 3 NCs with tunable entire visible spectral region by a modified lower temperature method, featured with facile, low-cost and easily operating in an open environment without vacuumization or glovebox system. Besides, we have investigated the incorporation of Ni and K ions into CsPbX 3 NCs by adjusting all kinds of composition concentration from halogen salts, based on above mentioned preparation method. The absolute photoluminescence quantum yields (PLQYs) of doped CsPbX 3 NCs with different dopant (Ni or K ions) concentration were discussed. It is found that a certain amount of doping is beneficial for suppressing the defects and improving the lattice structure of nanocrystals, whereas an excessive dopant may induce quenching centers of the emission. In addition, a glorious absolute PLQYs of doped CsPbX 3 NCs can be obtained by our method, especially for CsPbBr 3 and CsPbI 3 NCs, and nearly reach 80%.

✓ 已验证 DOI 高影响因子
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CHEMOSPHERE · 2019 · IF 5.108

Enhanced photocatalytic disinfection of Escherichia coli K-12 by porous g-C3N4 nanosheets: Combined effect of photo-generated and intracellular ROSs

Nannan He,Shihai Cao,Lihao Zhang,Zhidan Tian,Huan Chen,Fang Jiang

The porous graphitic carbon nitride nanosheets (PCNSs) with high yields were synthesized by using one–step chemical exfoliation method. PCNSs accelerated separation efficiency of photo-generated electron−hole pairs in comparison to bulk graphitic carbon nitride. The PCNS5 (exfoliation for 5 h) exhibited optimal photocatalytic disinfection capability towards Escherichia coli K-12 under simulated solar light irradiation with complete disinfection of 6.5 log 10  cfu/mL of E. coil K-12 within 2 h. The enhanced photocatalytic activity of PCNS5 originated from mesoporous nanosheet structure. The possible mechanism of photocatalytic disinfection has proposed that intracellular reactive oxygen species levels and the activities of antioxidant enzymes (e.g., catalase and superoxide dismutase) were enhanced. Transmission electron microscope images observed during photocatalytic disinfection process suggested that the cell membrane was regarded as the first target for oxidation, resulting in a faster leakage of cytoplasmic content and finally degradation of DNA leading to bacterial death. Furthermore, the trapping experiment showed that superoxide radical (•O 2 − ) and holes (h + ) were responsible for E. coli K-12 disinfection by PCNS5.

✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Density and Viscosity of the Ternary System Pinane + n-Dodecane + Methyl Laurate and Corresponding Binary Systems at T = 293.15–333.15 K

Panxi Wu,Lifeng Zhang,Shujun Zhao,Chenchen Wang,Yongsheng Guo,Wenjun Fang

Biofuel may be an important component of aviation fuel for its significant advantages. In the present work, two biofuel samples, methyl laurate and pinane, are selected for blending research with n-dodecane, a typical model fuel of aviation kerosene. Densities and viscosities for the ternary system pinane (1) + n-dodecane (2) + methyl laurate (3) and corresponding binary systems have been measured at the temperatures from 293.15 to 333.15 K and atmospheric pressure. The excess molar volume (VmE) and viscosity deviation (Δη) of binary systems have been calculated based on experimental data and fitted to the Redlich–Kister equation, while those of the ternary system have been fitted to Nagata–Tamura, Redlich–Kister, Cibulka, and Singh semiempirical equations, respectively. The values of the excess molar volume are all positive for all investigated systems, while the viscosity deviations are all negative. The results are discussed from the perspective of intermolecular force and the structure. Furthermore, the densities and viscosities of both binary and ternary mixtures are satisfactorily correlated using the Jouyban–Acree model.

✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2022 · IF 3.269

Volume properties of the ternary systems (LiCl + LiB5O8 + H2O) and (Li2SO4 + LiB5O8 + H2O) from 283.15 to 363.15 K and 101.325 kPa

Fei Yuan,Hua Li,Long Li,Shiqiang Wang,Yafei Guo,Tianlong Deng

In this study, densities of the two ternary aqueous solution systems (LiB 5 O 8  + LiCl + H 2 O) and (LiB 5 O 8  + Li 2 SO 4  + H 2 O) were measured using an accurate digital vibrating-tube densimeter from 283.15 to 363.15 K at an interval of 5 K and 101.325 kPa. B 5 O 8 - in aqueous solution was in the form of [B 5 O 6 (OH) 4 ] - . Therefore, the complex aqueous solution of LiB 5 O 8 is in the form of Li[B 5 O 6 (OH) 4 ]. Subsequently, the mean apparent molar volume ( V Φ θ VΦθ ) and mixing ion-interaction parameters ( θ a , a ′ v θa,a′v and Ψ c , a , a ′ v Ψc,a,a′v , c  = Li + , a  = B 5 O 6 (OH) 4 - , a ′ a′ = Cl - or SO 4 2- ) against temperature were obtained using the Pitzer equation for the first time. And then, the temperature-dependence equations for the Pitzer mixing ion-interaction parameters and the relevant temperature correlation coefficients of the equation a j, i.e. [ f ( a i , T ) =  a 1  +  a 2 ln( T /298.15) +  a 3 ( T  − 298.15) +  a 4 /(620 −  T ) +  a 5 /( T  − 227)] were also obtained through the least square fitting. These volumetric properties and parameterization Pitzer parameters obtained in this work could hopefully be used for the quantitatively predictive calculation of the physicochemical properties of the mixed electrolytes containing lithium, chloride, and sulfate ions at any temperature.

✓ 已验证 DOI 高影响因子
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INORGANIC CHEMISTRY · 2023 · IF 4.6

Enhancing External Quantum Efficiency of Blue-Emitting Phosphor Ba(K)-β-Al2O3:Eu2+ by Lattice Site Engineering for Full-Spectrum Lighting

Chao Dou,Shengqiang Liu,Fangyi Zhao,Zhen Song,Quanlin Liu

The discovery of violet-excitable blue-emitting phosphor is a significant breakthrough for the development of phosphor-converted full-spectrum white light-emitting diodes (WLEDs). However, the application of most known violet-excitable blue-emitting phosphors is limited by their low external quantum efficiency (EQE). In this work, we reported on how the EQE values of Eu2+-doped Ba(K)-β-Al2O3 blue-emitting phosphor can be significantly improved through lattice site engineering. By partially substituting K+ for Ba2+, the Eu2+-occupied crystallographic site changes and the coordination polyhedron of Eu2+ shrinks, leading to the increase of crystal field splitting. Consequently, the excitation spectrum exhibits a continuous red shift to match the violet excitation, which enhances the PL intensity of solid solution phosphor (Ba0.4K1.6)0.84Al22O35−α:0.32Eu2+ ((B0.4K1.6)0.84AO:Eu) by 1.42 times compared to that of the end-member Ba1.68Al22O35−α:0.32Eu2+ (B1.68AO:Eu) phosphor. Correspondingly, under the 400 nm violet light excitation, the EQE of optimal blue-emitting (B0.4K1.6)0.84AO:Eu phosphor is up to 53%. Additionally, the phosphor also shows excellent resistance to luminescence thermal quenching (95% at 150 °C). Finally, the WLED fabricated based on (B0.4K1.6)0.84AO:Eu and commercial green and red phosphors exhibited an ultra-high color rending index with Ra = 95.5 and R1–R15 >90. This work offers guidance for tuning the spectral properties of phosphors through lattice site engineering.

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